3-cyclohexyl-3-[[1-(3-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3-fluorophenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-(5-nitro-2-furoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H27FN4O8 MolecularWeight: 530.502283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN4O8/c26-17-8-4-7-16(13-17)24(34)28-11-12-29(25(35)19-9-10-20(38-19)30(36)37)23(28)22(33)27-18(14-21(31)32)15-5-2-1-3-6-15/h4,7-10,13,15,18,23H,1-3,5-6,11-12,14H2,(H,27,33)(H,31,32)